90389-87-0

Basic information

• Product Name: AIDS-011078
• Synonyms: AIDS-011078;90389-43-8 (Hydrochloride);Benzenemethanamine, 3-fluoro-N-(1-methylethyl)-;3-Fluoro-N-isopropylbenzylaMine, 97%;N-(3-FluorophenylMethyl)isopropylaMine;[(3-fluorophenyl)methyl](propan-2-yl)amine hydrochloride
• CAS NO: 90389-87-0
• Molecular Formula: C₁₀H₁₄FN
• Molecular Weight: 167.226
• Mol File: 90389-87-0.mol

Chemical Properties

• Boiling Point: 205.5°Cat760mmHg
• Flash Point: 78.1°C
• Appearance: /
• Density: 0.991g/cm³
• Vapor Pressure: 0.249mmHg at 25°C
• Refractive Index: 1.488
• CAS DataBase Reference: AIDS-011078(CAS DataBase Reference)
• NIST Chemistry Reference: AIDS-011078(90389-87-0)
• EPA Substance Registry System: AIDS-011078(90389-87-0)

Safety Data

• Hazardous Substances Data: 90389-87-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H14FN/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8,12H,7H2,1-2H3

Upstream product

• 46118-67-6 [1-(3-Fluoro-phenyl)-meth-(E)-ylidene]-isopropyl-amine 
• 456-48-4 3-Fluorobenzaldehyde 
• 75-31-0 isopropylamine 
• 456-41-7 1-(Bromomethyl)-3-fluorobenzene 

Relevant articles and documents

Probing Fluorinated Motifs onto Dual AChE-MAO B Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Early-ADME Studies

Bioisosteric H/F or CH2OH/CF2H replacement was introduced in coumarin derivatives previously characterized as dual AChE-MAO B inhibitors to probe the effects on both inhibitory potency and drug-likeness. Along with in vitro screening, we investigated early-ADME parameters related to solubility and lipophilicity (Sol7.4, CHI7.4, log D7.4), oral bioavailability and central nervous system (CNS) penetration (PAMPA-HDM and PAMPA-blood-brain barrier (BBB) assays, Caco-2 bidirectional transport study), and metabolic liability (half-lives and clearance in microsomes, inhibition of CYP3A4). Both specific and nonspecific tissue toxicities were determined in SH-SY5Y and HepG2 lines, respectively. Compound 15 bearing a ?CF2H motif emerged as a water-soluble, orally bioavailable CNS-permeant potent inhibitor of both human AChE (IC50 = 550 nM) and MAO B (IC50 = 8.2 nM, B/A selectivity > 1200). Moreover, 15 behaved as a safe and metabolically stable neuroprotective agent, devoid of cytochrome liability.

HEAT SHOCK PROTEIN 90 INHIBITORS

Substituted aromatic compounds of formula (I) shown below: (formula I) The definition of each variable in formula (I) appears in the Specification. Also disclosed is a pharmaceutical composition containing one of the substituted aromatic compounds. Further disclosed is a method of using one of these compounds for treating a medical condition associated with HSP90.

Benzylamines: Synthesis and evaluation of antimycobacterial properties

The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (MIC 10.2 μg/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 μg/mL), and N-butyl-3,5-difluorobenzylamine (MIC 6.4 μg/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combination of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.